LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-07-03 09:55:59 +02:00
Code Issues Releases Wiki Activity

Merge branch 'master' of github.com:scemama/quantum_package

Browse Source
This commit is contained in:
Anthony Scemama 2016-10-10 17:20:52 +02:00
commit d848c76316
1 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/Integrals_Bielec/mo_bi_integrals.irp.f
View File

@ -240,9 +240,9 @@ subroutine add_integrals_to_map(mask_ijkl)
exit
endif
bielec_tmp_1(i) = c*bielec_tmp_3(i,j0,k0)
! enddo
!
! do i = 1, min(k,j1-i1)
enddo
do i = 1, min(k,j1-i1)
if (abs(bielec_tmp_1(i)) < mo_integrals_threshold) then
cycle
endif